1MET A 1 999.90 127.50-178.50 -63.50-179.86-179.65 999.90 0.00 0.00 34.44 43.42 29.860 25.009 2 14 25.371 21.030 2GLY A 2 -117.03 39.60 179.08 999.90 999.90 999.90 999.90 0.00 0.00 999.90 0.00 16.995 0.000 3 13 0.000 0.000 3HIS A 3 -88.57 99.28-177.93 -61.68 126.56 999.90 999.90 0.00 0.00 34.05 30.20 16.642 13.644 6 20 16.562 12.215 4HIS A 4 -82.43 135.16 178.95-162.53 105.18 999.90 999.90 -1.07 0.00 34.73 21.33 20.396 27.400 6 23 18.658 24.140 5HIS A 5 -63.47 101.64 178.84-173.29 110.63 999.90 999.90 0.00 0.00 34.32 22.51 23.490 19.876 10 31 22.652 14.879 6HIS A 6 -118.44 85.84-175.90-161.64-113.49 999.90 999.90 -0.90 0.00 34.22 12.42 21.268 26.637 4 22 17.275 26.582 7HIS A 7 -175.45 114.36 172.42 174.11-110.85 999.90 999.90 -0.58 0.00 34.80 20.23 30.190 17.474 6 25 18.807 16.828 8HIS A 8 -66.52 122.04-168.59-160.80-145.10 999.90 999.90 0.00 0.00 34.17 22.04 27.661 20.380 7 21 23.878 21.471 9SER A 9 -63.99 159.42 175.90-173.17 999.90 999.90 999.90 0.00 0.00 34.36 63.01 23.987 35.994 8 24 21.730 10.314 10HIS A 10 -140.94 90.56 176.62 -73.59 -93.31 999.90 999.90 0.00 0.00 34.83 13.10 21.403 25.435 6 21 15.092 21.744 11MET A 11 -155.02 120.48 177.30 64.76 92.86 176.57 999.90 0.00 0.00 32.66 10.25 17.714 19.299 6 26 16.587 18.839 12ALA A 12 -149.18 16.10-179.94 999.90 999.90 999.90 999.90 0.00 0.00 34.07 0.00 24.069 22.795 4 25 21.067 0.000 13GLN A 13 -90.32 95.51 174.77 -72.98-177.62 -91.17 999.90 0.00 0.00 33.96 51.21 27.555 30.695 4 28 18.557 25.857 14PHE A 14 -84.49 134.58-178.31 53.86 -85.95 999.90 999.90 -1.14 0.00 33.49 34.33 16.672 20.715 7 32 18.491 16.570 15PRO A 15 -72.23 136.40 178.90 -8.25 999.90 999.90 999.90 0.00 0.00 38.20 24.54 21.952 10.832 7 32 12.753 4.386 16THR A 16 -81.69 112.03-175.73 172.54 999.90 999.90 999.90 0.00 0.00 33.02 14.43 19.769 18.992 6 26 14.332 12.090 17PRO A 17 -58.50 139.75 176.83 -20.19 999.90 999.90 999.90 0.00 0.00 38.50 4.31 16.690 14.804 6 24 21.540 7.224 18PHE A 18 -121.94 110.63 179.33 52.35 -76.24 999.90 999.90 0.00 0.00 33.17 10.15 16.792 18.606 6 20 6.928 15.746 19GLY A 19 S -81.04 163.90-178.43 999.90 999.90 999.90 999.90 -0.53 0.00 999.90 0.00 32.196 0.000 5 16 21.947 0.000 20GLY A 20 S 92.42 -56.39 175.72 999.90 999.90 999.90 999.90 0.00 0.00 999.90 0.00 18.436 0.000 4 11 16.849 0.000 21SER A 21 S -86.51 138.58-178.76 -50.79 999.90 999.90 999.90 -1.01 0.00 34.69 21.40 18.415 30.209 5 14 14.038 23.309 22LEU A 22 -73.33 124.23 179.84 -60.24-179.59 999.90 999.90 0.00 0.00 33.79 61.01 23.676 23.374 6 19 23.119 17.845 23ASP A 23 t -88.82 31.76-175.79 53.32 -79.19 999.90 999.90 0.00 0.00 34.48 65.34 12.917 23.257 8 29 5.437 23.163 24THR A 24 T -61.85 -30.70 178.60 -48.01 999.90 999.90 999.90 0.00 0.00 34.83 13.40 19.819 31.913 6 37 19.069 22.491 25TRP A 25 T-113.82 9.28 178.75 -82.16 118.60 999.90 999.90 0.00 0.00 34.24 54.11 16.180 26.133 9 40 22.099 26.376 26ALA A 26 t-108.15 171.84 175.19 999.90 999.90 999.90 999.90 -1.00 0.00 34.20 0.00 23.107 27.705 10 39 23.283 24.496 27ILE A 27 -108.96 129.55-176.90 -63.20 175.13 999.90 999.90 -0.54 0.00 33.58 11.42 27.817 10.504 13 45 21.943 9.765 28THR A 28 h-125.94-178.47 179.70 0.07 999.90 999.90 999.90 0.00 0.00 34.91 34.55 29.813 14.087 11 37 25.132 17.813 29VAL A 29 H -68.91 -32.62 175.43-177.33 999.90 999.90 999.90 0.00 0.00 33.73 2.00 34.894 18.590 10 29 27.800 15.073 30GLU A 30 H -69.93 -30.13 178.53 -80.19 69.83 -82.43 999.90 0.00 0.00 33.88 61.43 14.423 24.156 6 30 14.337 22.963 31GLU A 31 H -78.23 -38.06 178.99 -46.17 -57.02 80.29 999.90 0.00 0.00 34.21 55.34 28.025 24.473 9 40 21.439 21.092 32ARG A 32 H -64.53 -32.26 175.79 70.85 83.09 70.74-123.71 -2.74 0.00 33.05 12.32 16.223 17.249 11 39 17.850 15.760 33ALA A 33 H -75.53 -25.60-178.22 999.90 999.90 999.90 999.90 -1.62 0.00 34.02 0.00 22.871 69.220 8 32 21.292 0.000 34LYS A 34 H -59.19 -44.66-178.58 179.88 -83.90 169.60 -56.34 -0.76 0.00 33.87 74.12 14.293 21.141 10 37 12.062 21.329 35HIS A 35 H -76.34 -28.98 179.24 61.50 75.72 999.90 999.90 -1.19 0.00 32.11 32.12 18.360 20.864 10 47 10.329 21.100 36ASP A 36 H -55.05 -43.37-177.98 -86.22 22.90 999.90 999.90 -0.84 0.00 34.62 63.31 22.006 36.101 8 42 12.082 25.065 37GLN A 37 H -60.66 -48.59-177.54 -67.07 -71.71 29.16 999.90 -1.52 0.00 34.38 61.23 17.545 22.792 8 28 14.422 20.199 38GLN A 38 H -77.92 -33.58-177.82 -64.25 175.78 -31.39 999.90 -0.91 0.00 34.06 14.34 16.385 17.745 10 35 8.186 20.802 39PHE A 39 H -64.78 -34.23 178.83-147.65 -78.99 999.90 999.90 -3.22 0.00 34.86 12.12 11.834 12.108 11 42 0.000 8.343 40HIS A 40 H -56.27 -38.37-177.04-167.16 114.43 999.90 999.90 -1.88 0.00 35.29 53.43 31.483 21.565 8 31 20.743 17.800 41SER A 41 H -75.79 -16.18-178.32 -54.96 999.90 999.90 999.90 -0.60 0.00 34.48 63.44 20.365 27.274 6 26 17.623 17.795 42LEU A 42 h -75.33 -11.34-175.93 -56.13-177.89 999.90 999.90 -1.17 0.00 34.62 73.44 23.041 22.988 11 32 23.242 24.100 43LYS A 43 t 60.88 65.70 172.80 -93.55 70.38 65.35 54.48 -1.06 0.00 33.17 54.42 20.227 15.909 7 24 22.620 12.416 44PRO A 44 -73.81 136.48-176.52 25.87 999.90 999.90 999.90 0.00 0.00 38.23 12.44 19.096 32.729 9 32 18.787 17.754 45ILE A 45 S -90.82 -77.72-177.63 -55.88 -56.89 999.90 999.90 -1.03 0.00 33.45 51.41 25.473 25.608 6 24 20.522 20.283 46SER A 46 S-111.57 48.18 177.92 -54.61 999.90 999.90 999.90 0.00 0.00 34.15 30.22 29.935 16.914 5 21 27.083 0.000 47GLY A 47 S 74.79 21.01-179.77 999.90 999.90 999.90 999.90 0.00 0.00 999.90 0.00 21.982 0.000 8 31 16.394 0.000 48PHE A 48 -142.06 147.66 178.40 73.24 -76.74 999.90 999.90 0.00 0.00 33.88 15.44 16.283 22.124 12 36 0.000 24.569 49ILE A 49 -138.74 171.62 178.64 73.17 -61.40 999.90 999.90 0.00 0.00 33.80 11.15 25.631 21.905 12 44 14.593 23.288 50THR A 50 h-131.87-164.97-175.29 -30.92 999.90 999.90 999.90 0.00 0.00 33.85 53.52 22.459 18.661 10 41 17.786 12.721 51GLY A 51 H -51.34 -37.13-179.74 999.90 999.90 999.90 999.90 0.00 0.00 999.90 0.00 31.688 0.000 7 41 28.427 0.000 52ASP A 52 H -56.37 -50.29-178.23 -68.55 78.22 999.90 999.90 0.00 0.00 35.28 4.14 26.710 14.388 7 33 20.287 13.178 53GLN A 53 H -66.84 -46.28-178.21 -70.33 63.64 82.36 999.90 -0.73 0.00 34.62 21.14 23.042 23.351 11 42 18.591 18.907 54ALA A 54 H -56.12 -46.06-178.43 999.90 999.90 999.90 999.90 -2.16 0.00 34.05 0.00 21.876 17.225 10 59 20.979 0.000 55ARG A 55 H -60.04 -47.40-178.30-177.68-179.32 179.44-178.38 -2.69 0.00 34.09 62.14 13.611 20.121 8 44 9.134 18.485 56ASN A 56 H -67.56 -31.65-178.10 -78.06 -87.73 999.90 999.90 -1.65 0.00 33.95 32.31 17.740 25.884 9 36 14.903 19.779 57PHE A 57 H -58.68 -59.17-175.85-174.03 -86.56 999.90 999.90 -2.23 0.00 34.29 21.32 33.138 21.895 11 51 19.212 23.443 58PHE A 58 H -79.33 -24.13 177.46 40.49 62.24 999.90 999.90 -1.69 0.00 31.69 73.54 22.890 20.923 12 49 13.825 24.923 59PHE A 59 H -70.86 -26.92 176.92-170.44 69.69 999.90 999.90 -1.77 0.00 34.12 71.32 25.615 21.294 11 34 22.649 24.078 60GLN A 60 H -63.69 -40.26-177.27-152.91 -64.86 -85.00 999.90 -1.65 0.00 35.12 33.40 28.491 15.187 8 33 22.579 14.620 61SER A 61 H -66.68 -20.05 172.45 -58.32 999.90 999.90 999.90 -0.88 0.00 33.71 24.41 18.987 22.217 8 39 17.631 9.133 62GLY A 62 h 87.40 38.41 174.29 999.90 999.90 999.90 999.90 -0.55 0.00 999.90 0.00 17.148 0.000 7 29 22.271 0.000 63LEU A 63 t-101.41 154.46 176.16 -75.81 172.71 999.90 999.90 -0.90 0.00 34.05 54.22 22.597 25.748 11 32 16.952 16.760 64PRO A 64 h -58.48 149.41-174.16 -22.49 999.90 999.90 999.90 0.00 0.00 38.57 72.22 20.420 34.920 7 28 19.332 25.318 65GLN A 65 H -59.96 -46.76 174.75-171.95 176.07 -89.40 999.90 0.00 0.00 33.11 5.43 22.761 16.057 7 26 19.789 19.856 66PRO A 66 H -54.63 -40.77 175.40 12.99 999.90 999.90 999.90 0.00 0.00 38.14 2.01 28.892 27.214 6 27 24.383 21.493 67VAL A 67 H -62.20 -44.31 179.34 168.69 999.90 999.90 999.90 0.00 0.00 34.79 51.32 21.234 27.147 9 37 22.762 16.859 68LEU A 68 H -63.15 -53.47-179.49 -57.79 178.86 999.90 999.90 -2.52 0.00 35.06 44.35 15.257 22.770 12 45 4.449 20.799 69ALA A 69 H -60.13 -31.88 178.30 999.90 999.90 999.90 999.90 -3.48 0.00 33.95 0.00 18.301 56.725 8 43 15.958 0.000 70GLN A 70 H -69.42 -37.61 175.09-159.11-141.34 -30.80 999.90 -1.77 0.00 34.61 44.53 20.008 21.876 9 45 18.945 19.917 71ILE A 71 H -62.84 -38.83 177.12 -75.65 156.53 999.90 999.90 -1.68 0.00 33.80 10.34 24.033 19.411 11 54 17.680 19.271 72TRP A 72 H -66.66 -45.20-179.34-177.48 28.26 999.90 999.90 -1.99 0.00 34.65 61.13 21.218 22.994 10 52 19.998 25.278 73ALA A 73 H -64.06 -19.28 176.79 999.90 999.90 999.90 999.90 -2.71 0.00 34.16 0.00 25.415 27.430 11 36 24.600 0.000 74LEU A 74 H -91.71 -27.20-175.23 -92.97 177.37 999.90 999.90 -0.91 0.00 34.94 14.35 19.913 17.753 12 44 21.579 9.731 75ALA A 75 H -64.55 -71.53 169.45 999.90 999.90 999.90 999.90 -1.52 0.00 34.20 0.00 15.503 22.820 12 50 20.917 8.236 76ASP A 76 h -79.48 96.69-172.93 34.63 -72.36 999.90 999.90 -1.25 0.00 31.85 42.22 15.840 16.985 12 40 12.931 7.220 77MET A 77 T -54.25 -30.12 178.05 -74.56 167.31 -73.48 999.90 -1.33 0.00 33.80 42.25 15.082 17.122 7 33 5.371 9.535 78ASN A 78 T -85.30 -1.34-169.53-160.26 35.82 999.90 999.90 0.00 0.00 34.87 71.54 28.694 22.622 4 24 20.458 25.007 79ASN A 79 t 55.07 77.42-177.08-162.89 145.09 999.90 999.90 -2.88 0.00 32.69 53.52 19.888 31.394 9 30 12.953 14.503 80ASP A 80 -87.12 -23.88 174.11-165.51 45.89 999.90 999.90 0.00 0.00 34.54 11.55 24.427 18.948 7 32 25.303 19.830 81GLY A 81 S 75.81 28.80-179.96 999.90 999.90 999.90 999.90 0.00 0.00 999.90 0.00 18.281 0.000 7 35 8.770 0.000 82ARG A 82 S-165.45 -42.16 174.98 55.45-173.41 174.00-168.72 0.00 0.00 33.91 34.14 16.831 26.420 10 41 17.985 24.798 83MET A 83 58.65 177.39 172.35 90.11 169.78 64.74 999.90 0.00 0.00 33.18 0.02 21.063 17.869 12 44 22.091 19.631 84ASP A 84 h-134.09-176.67-179.15-160.01 -88.00 999.90 999.90 0.00 0.00 34.10 12.35 16.009 23.053 11 47 9.944 18.436 85GLN A 85 H -56.04 -29.96 179.54 -55.96 -55.79 -30.17 999.90 0.00 0.00 34.76 3.15 13.444 16.694 11 49 0.000 11.748 86VAL A 86 H -66.56 -44.32 175.64 49.45 999.90 999.90 999.90 0.00 0.00 32.52 65.45 30.214 31.422 9 48 25.616 13.998 87GLU A 87 H -68.60 -37.89-178.16 -74.85 69.12 44.39 999.90 0.00 0.00 34.49 24.25 23.241 27.384 10 55 18.167 22.020 88PHE A 88 H -67.28 -34.71-175.98-140.25 -60.78 999.90 999.90 -2.54 0.00 34.89 2.21 23.282 23.574 10 65 11.481 24.257 89SER A 89 H -76.12 -17.80-179.59-169.70 999.90 999.90 999.90 -2.35 0.00 33.94 60.21 28.108 35.557 10 58 23.581 0.000 90ILE A 90 H -97.31 -40.46-177.00 178.95 176.87 999.90 999.90 -0.68 0.00 32.74 62.41 25.602 34.556 12 61 24.130 27.921 91ALA A 91 H -65.97 -27.48-176.69 999.90 999.90 999.90 999.90 -2.37 0.00 34.45 0.00 27.165 37.570 12 68 19.280 0.000 92MET A 92 H -60.90 -28.48-177.05 61.54 83.75-166.97 999.90 -1.16 0.00 34.13 42.31 17.486 12.412 11 64 19.650 9.433 93LYS A 93 H -79.00 -29.37 175.61-156.76 -82.09 160.58 53.55 -1.20 0.00 33.32 12.32 21.235 22.188 13 60 16.113 17.301 94LEU A 94 H -61.46 -45.67 179.60-167.16 67.31 999.90 999.90 -0.67 0.00 35.13 50.20 26.288 28.147 9 58 23.195 11.773 95ILE A 95 H -55.13 -45.31-177.17 -51.59 174.40 999.90 999.90 -1.60 0.00 34.91 21.43 18.081 21.893 13 57 14.756 24.734 96LYS A 96 H -56.49 -52.41-176.57 175.84 177.14 175.93 172.88 -1.39 0.00 34.32 11.21 22.243 23.617 8 48 12.029 21.699 97LEU A 97 H -80.84 -26.34 179.53-171.37 58.48 999.90 999.90 -1.73 0.00 34.09 1.42 28.172 18.682 10 40 26.976 4.002 98LYS A 98 H -64.65 -28.76 175.88-155.83 165.01-174.25 174.12 -2.73 0.00 34.03 42.21 19.178 25.123 9 41 12.471 22.149 99LEU A 99 h -60.17 -24.41-176.21 -71.14 165.88 999.90 999.90 -1.62 0.00 34.97 5.40 35.409 17.622 10 30 22.367 9.215 100GLN A 100 T -80.34 -9.19 178.52 -54.78 -54.85 90.21 999.90 -1.51 0.00 34.17 13.34 22.612 13.869 6 20 26.582 16.812 101GLY A 101 T 114.60 54.10 178.30 999.90 999.90 999.90 999.90 -1.69 0.00 999.90 0.00 30.887 0.000 6 21 18.414 0.000 102TYR A 102 t-132.96 168.43 178.87 -68.96 -82.05 999.90 999.90 -1.60 0.00 34.26 24.21 31.874 21.239 7 31 28.230 20.409 103GLN A 103 -136.40 -51.22-177.81 -64.23-174.44 -29.21 999.90 0.00 0.00 33.77 44.22 20.605 30.648 6 34 19.558 26.831 104LEU A 104 65.75 165.37 175.17 -76.37 76.81 999.90 999.90 0.00 0.00 33.18 53.21 20.676 23.025 6 34 16.377 23.439 105PRO A 105 -98.38-164.00-177.50 32.17 999.90 999.90 999.90 0.00 0.00 39.43 11.04 22.318 18.763 5 28 22.502 0.000 106SER A 106 S -81.79 6.64 177.84 -55.59 999.90 999.90 999.90 0.00 0.00 34.98 52.15 24.381 33.721 7 29 24.633 0.000 107ALA A 107 -109.44 109.56 177.95 999.90 999.90 999.90 999.90 0.00 0.00 34.15 0.00 25.208 28.170 6 26 27.503 9.427 108LEU A 108 -74.40 146.26 175.51 -76.87 178.50 999.90 999.90 -0.65 0.00 34.71 4.13 22.057 19.879 9 38 25.527 12.692 109PRO A 109 h -70.22 152.80-177.65 -12.16 999.90 999.90 999.90 0.00 0.00 38.61 14.10 17.587 12.461 7 32 12.047 2.213 110PRO A 110 H -74.24 -4.91-178.02 27.71 999.90 999.90 999.90 0.00 0.00 38.72 52.12 28.564 27.917 7 26 23.466 23.449 111VAL A 111 H -83.17 -30.73-178.76-170.29 999.90 999.90 999.90 0.00 0.00 34.12 40.31 26.147 22.781 9 32 23.880 16.251 112MET A 112 H -76.42 -38.15-178.71 -60.01-169.77 63.72 999.90 -0.89 0.00 34.09 74.22 30.948 31.932 10 48 25.113 32.273 113LYS A 113 H -87.48 -20.95-177.66 63.27 175.57 -57.82-173.57 -0.94 0.00 34.33 51.20 25.712 15.196 10 40 24.141 13.209 114GLN A 114 h 62.81-169.19 177.20 -61.28 172.49 88.71 999.90 -0.91 0.00 33.97 61.25 24.364 27.295 7 29 20.955 23.336 115GLN A 115 -112.48 99.49-176.40-172.44 168.63 -89.14 999.90 0.00 0.00 33.85 33.23 30.758 19.181 6 19 20.227 23.063 116PRO A 116 -66.63 134.24 179.72 -14.55 999.90 999.90 999.90 0.00 0.00 38.27 11.41 30.318 23.803 5 21 22.849 15.046 117VAL A 117 -120.76 114.48 177.41 -70.66 999.90 999.90 999.90 0.00 0.00 33.37 11.11 22.965 22.279 4 13 22.849 0.000 118ALA A 118 -106.89 -24.52-178.02 999.90 999.90 999.90 999.90 -0.53 0.00 33.97 0.00 30.954 7.685 4 10 14.380 5.445 119ILE A 119 61.04 85.82-179.27 -60.65 175.38 999.90 999.90 0.00 0.00 33.46 34.32 16.104 19.135 4 6 20.901 9.882 120SER A 120 -153.53 116.96 178.91 -57.06 999.90 999.90 999.90 0.00 0.00 34.53 10.14 31.165 14.898 3 5 24.291 0.000 121SER A 121 -148.99 999.90 999.90 57.89 999.90 999.90 999.90 0.00 0.00 33.95 24.51 20.716 33.512 2 4 14.621 0.000